Lactimidomycin

CAT: 0926-JFA86915-02Size: 0.6 mgDry Ice: NoHazardous: No

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CAT#:0926-JFA86915-02Size:0.6 mg

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CAS Number

134869-15-1

Smiles

O=C (CC (C[C@@H] (O) CC ([C@@H] (C) /C=C ([C@@H] ([C@@H] (C) /C=C\C=C\CC/C=C/1) OC1=O) \C) =O) C2) NC2=O

Molecular Formula

C26H35NO6

Molecular Weight

457.6 g/mol

Controlled

Chemical Information

Lactimidomycin

Lactimidomycin has been reported in Streptomyces amphibiosporus with data available.

CAS Number	134869-15-1
PubChem CID	139586089
IUPAC Name	4-[(E,2R,5S)-2-hydroxy-5-methyl-7-[(3S,4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
Molecular Formula	C26H35NO6
Molecular Weight	457.6
XLogP	3.2
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	837

SMILES

C[C@H]1/C=C\C=C\CC/C=C/C(=O)OC1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C

InChI

InChI=1S/C26H35NO6/c1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)/b6-4+,10-8-,11-9+,19-12+/t17-,18-,21+,26?/m0/s1

InChIKey

OYOKHBHOTQDIPM-UESXVERFSA-N

Chemical Structure

2D Structure

CAS: 134869-15-1

CID: 139586089

Formula: C26H35NO6

MW: 457.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	457.6
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	457.24643784
Monoisotopic Mass	457.24643784
Topological Polar Surface Area	110 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	837
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5769270	Lactimidomycin

Lactimidomycin

Chemical Information

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